1,2-Dichloroethane-d4

Base Information

• Chemical Name: 1,2-Dichloroethane-d4
• CAS No.: 17060-07-0
• Molecular Formula: C₂H₄Cl₂
• Molecular Weight: 102.928
• European Community (EC) Number: 627-507-5
• Nikkaji Number: J646.925F
• Mol file: 17060-07-0.mol

Synonyms:1,2-Dichloroethane-d4;17060-07-0;1,2-Dichloroethane D4;1,2-dichloro-1,1,2,2-tetradeuterioethane;1,2-Dichloroethane D4 2000 microg/mL in Methanol;Ethylene-d4 dichloride;Ethane-1,1,2,2-d4, 1,2-dichloro- (8CI,9CI);Ethane-1,1,2,2-d4, dichloro- (7CI);dichloro(?H?)ethane;Ethane-1,1,2,2-d4, 1,2-dichloro-;SCHEMBL916016;MFCD00037531;AKOS015903720;1,2-Dichloroethane-d4, 99 atom % D;AS-81207;1,2-Dichloroethane-d4, analytical standard;D98915;Ethane-1,1,2,2-d4,1,2-dichloro-(8ci,9ci);1,2-Dichloroethane D4 1000 microg/mL in Methanol;J-010633

Chemical Property of 1,2-Dichloroethane-d4

Chemical Property:

• Melting Point: ?35 °C(lit.)
• Refractive Index: n20/D 1.443(lit.)
• Boiling Point: 83.5 °C at 760 mmHg
• Flash Point: 15.6 °C
• PSA: 0.00000
• Density: 1.221 g/cm³
• LogP: 1.46400
• Storage Temp.: 2-8°C
• Water Solubility.: Partially miscible with water.
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 101.9941125
• Heavy Atom Count: 4
• Complexity: 6

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,2-Dichloroethane-D4 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, T
• Hazard Codes: F,T
• Statements: 45-11-22-36/37/38-39/23/24/25-23/24/25
• Safety Statements: 53-45-36/37-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCl)Cl
• Isomeric SMILES: [2H]C([2H])(C([2H])([2H])Cl)Cl
• Uses: 1,2-Dichloroethane-d4 is widely used as a solvent for NMR analysis, and in the synthesis of poly(ethylene-d4 oxide) as a chain termination reagent. 1,2-Dichloroethane-d4 may be used:As a NMR solvent.As a surrogate standard during the analysis of volatile organic compounds (VOC) in water by gas chromatography-mass spectrometry (GC-MS).As a chain termination reagent in the synthesis of poly(ethylene-d4 oxide).

Technology Process of 1,2-Dichloroethane-d4

There total 3 articles about 1,2-Dichloroethane-d4 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 26.0%

[1,1,2,2-(2)H4]ethane-1,2-diol (2219-51-4) → 1,2-dichloro-1,1,2,2-tetradeuterio-ethane (17060-07-0)

Guidance literature:

With pyridine; thionyl chloride; for 2h; Heating;

DOI:10.1021/ja9619465

Reference yield:

Ethylene-d4 (683-73-8,25549-98-8) → 1,2-dichloro-1,1,2,2-tetradeuterio-ethane (17060-07-0)

Guidance literature:

With dichloromethane; chlorine; at -78 ℃;

DOI:10.1139/v52-112

Reference yield:

chloro-pentadeuterio-ethane (19199-91-8) → 1,2-dichloro-1,1,2,2-tetradeuterio-ethane (17060-07-0) + 1,1-dichloroethane-d4 (40202-09-3)

Guidance literature:

With chlorine; In gas; at 8 - 94 ℃; Kinetics; Thermodynamic data; Mechanism; ΔE(excit);

DOI:10.1021/j150651a036

upstream raw materials:

Ethylene-d4

chloro-pentadeuterio-ethane

[1,1,2,2-⁽²⁾H₄]ethane-1,2-diol

Downstream raw materials:

2-(2-chloro-d4-ethyl)isoindoline-1,3-dione

cis-[bis(dimethylphenylphosphane)dichlroplatinum(II)]

1,2-bis(phenylthio)ethane-d4

Refernces

• 1、 Nixdorf, Andreas,Grützmacher, Hans-Friedrich. "Reactions of gaseous vinyl halide radical cations with ammonia. A study of mechanism by Fourier-transform ion cyclotron resonance spectrometry and ab initio molecular orbital calculation". . p. 6544 - 6551. Retrieved 1997.